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The variational and diagrammatic quantum Monte Carlo approach to the many-electron problem

Invited

Abstract

Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. Here we show that combining both and introducing a diagrammatic quantum Monte Carlo method, results in a powerful and accurate solver to the generic solid state problem, in which a macroscopic number of electrons interact by the long-range Coulomb repulsion. We apply it to the quintessential problem of solid-state, the uniform electron gas, which is at the heart of the density functional theory success in describing real materials, yet it has not been adequately solved for over 90 years. We precisely calculate the one- and two-electron spectrums. Our results address the long-standing electron mass puzzle. We also establish the full spin-dependent exchange-correlation potential for the first time. Our method can be applied to a number of moderately interacting electron systems, including models of realistic metallic and semiconducting solids.

Presenters

  • Kun Chen

    Simons Foundation, Department of Physics and Astronomy, Rutgers, The State University of New Jersey, Flatiron Institute, Center for Computational Quantum Physics, Center for Computational Quantum Physics, Flatiron Institute

Authors

  • Kun Chen

    Simons Foundation, Department of Physics and Astronomy, Rutgers, The State University of New Jersey, Flatiron Institute, Center for Computational Quantum Physics, Center for Computational Quantum Physics, Flatiron Institute

  • Kristjan Haule

    Rutgers University, New Brunswick, Physics & Astronomy, Rutgers University, Piscataway, NJ 08854, USA, Department of Physics and Astronomy, Rutgers University, Dept. of Physics and Astronomy, Rutgers University, New Brunswick, Department of Physics and Astronomy, Rutgers, The State University of New Jersey